ethyl 2-(4-aminophenyl)iminoacetate

C10H12N2O2 — CID 22061005

IUPACethyl 2-(4-aminophenyl)iminoacetate
SMILESCCOC(=O)/C=N/c1ccc(N)cc1
InChIInChI=1S/C10H12N2O2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-7H,2,11H2,1H3/b12-7+
InChIKeyITGWJYAVYDBKAL-KPKJPENVSA-N
MW192.22 g/mol
LogP1.53
Rot. Bonds3

About ethyl 2-(4-aminophenyl)iminoacetate

ethyl 2-(4-aminophenyl)iminoacetate (PubChem CID 22061005) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is ethyl 2-(4-aminophenyl)iminoacetate.

Molecular Properties

Compound Nameethyl 2-(4-aminophenyl)iminoacetate
PubChem CID22061005
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Nameethyl 2-(4-aminophenyl)iminoacetate
SMILESCCOC(=O)/C=N/c1ccc(N)cc1
InChIInChI=1S/C10H12N2O2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-7H,2,11H2,1H3/b12-7+
InChIKeyITGWJYAVYDBKAL-KPKJPENVSA-N
XLogP1.53
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminophenyl)iminoacetate?
The IUPAC name of ethyl 2-(4-aminophenyl)iminoacetate (CID 22061005) is ethyl 2-(4-aminophenyl)iminoacetate.
What is the SMILES notation for ethyl 2-(4-aminophenyl)iminoacetate?
The canonical SMILES for ethyl 2-(4-aminophenyl)iminoacetate is CCOC(=O)/C=N/c1ccc(N)cc1.
What is the InChIKey of ethyl 2-(4-aminophenyl)iminoacetate?
The InChIKey is ITGWJYAVYDBKAL-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-7H,2,11H2,1H3/b12-7+.
What are the key properties of ethyl 2-(4-aminophenyl)iminoacetate?
ethyl 2-(4-aminophenyl)iminoacetate has a molecular weight of 192.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminophenyl)iminoacetate is sourced from PubChem (CID 22061005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).